1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine

C141H153F6N37O4S7 — CID 159824495

IUPAC1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
SMILESCC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccccc4)CC3)n2)=NC1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccccc4)CC3)n2)s1.Cc1nc(Nc2n[nH]c(C)c2C(c2cccs2)N2CCCCC2)nc(N2CCN(C)CC2)n1.O=C(Cc1ccc(Sc2nc(NC3=NCC(C4CC4)=C3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1)C1CC1
InChIInChI=1S/C32H32F3N7OS.C29H28F3N7OS2.C29H31N7OS.C28H29N7OS2.C23H33N9S/c33-32(34,35)24-2-1-3-25(18-24)41-12-14-42(15-13-41)30-38-29(37-28-17-23(19-36-28)21-6-7-21)39-31(40-30)44-26-10-4-20(5-11-26)16-27(43)22-8-9-22;1-18-17-33-27(41-18)35-25-34-26(39-13-11-38(12-14-39)22-4-2-3-21(16-22)29(30,31)32)37-28(36-25)42-23-9-5-19(6-10-23)15-24(40)20-7-8-20;1-20-17-26(30-19-20)31-27-32-28(36-15-13-35(14-16-36)23-5-3-2-4-6-23)34-29(33-27)38-24-11-7-21(8-12-24)18-25(37)22-9-10-22;1-19-18-29-27(37-19)31-25-30-26(35-15-13-34(14-16-35)22-5-3-2-4-6-22)33-28(32-25)38-23-11-7-20(8-12-23)17-24(36)21-9-10-21;1-16-19(20(18-8-7-15-33-18)31-9-5-4-6-10-31)21(29-28-16)26-22-24-17(2)25-23(27-22)32-13-11-30(3)12-14-32/h1-5,10-11,17-18,21-22H,6-9,12-16,19H2,(H,36,37,38,39,40);2-6,9-10,16-17,20H,7-8,11-15H2,1H3,(H,33,34,35,36,37);2-8,11-12,17,22H,9-10,13-16,18-19H2,1H3,(H,30,31,32,33,34);2-8,11-12,18,21H,9-10,13-17H2,1H3,(H,29,30,31,32,33);7-8,15,20H,4-6,9-14H2,1-3H3,(H2,24,25,26,27,28,29)
InChIKeyNMQROYABAWPUGV-UHFFFAOYSA-N
MW2768.49 g/mol
LogP25.81
Rot. Bonds41

About 1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine

1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine (PubChem CID 159824495) has the molecular formula C141H153F6N37O4S7 and a molecular weight of 2768.49 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
PubChem CID159824495
Molecular FormulaC141H153F6N37O4S7
Molecular Weight2768.49 g/mol
Exact Mass2766.09
IUPAC Name1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
SMILESCC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccccc4)CC3)n2)=NC1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccccc4)CC3)n2)s1.Cc1nc(Nc2n[nH]c(C)c2C(c2cccs2)N2CCCCC2)nc(N2CCN(C)CC2)n1.O=C(Cc1ccc(Sc2nc(NC3=NCC(C4CC4)=C3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1)C1CC1
InChIInChI=1S/C32H32F3N7OS.C29H28F3N7OS2.C29H31N7OS.C28H29N7OS2.C23H33N9S/c33-32(34,35)24-2-1-3-25(18-24)41-12-14-42(15-13-41)30-38-29(37-28-17-23(19-36-28)21-6-7-21)39-31(40-30)44-26-10-4-20(5-11-26)16-27(43)22-8-9-22;1-18-17-33-27(41-18)35-25-34-26(39-13-11-38(12-14-39)22-4-2-3-21(16-22)29(30,31)32)37-28(36-25)42-23-9-5-19(6-10-23)15-24(40)20-7-8-20;1-20-17-26(30-19-20)31-27-32-28(36-15-13-35(14-16-36)23-5-3-2-4-6-23)34-29(33-27)38-24-11-7-21(8-12-24)18-25(37)22-9-10-22;1-19-18-29-27(37-19)31-25-30-26(35-15-13-34(14-16-35)22-5-3-2-4-6-22)33-28(32-25)38-23-11-7-20(8-12-23)17-24(36)21-9-10-21;1-16-19(20(18-8-7-15-33-18)31-9-5-4-6-10-31)21(29-28-16)26-22-24-17(2)25-23(27-22)32-13-11-30(3)12-14-32/h1-5,10-11,17-18,21-22H,6-9,12-16,19H2,(H,36,37,38,39,40);2-6,9-10,16-17,20H,7-8,11-15H2,1H3,(H,33,34,35,36,37);2-8,11-12,17,22H,9-10,13-16,18-19H2,1H3,(H,30,31,32,33,34);2-8,11-12,18,21H,9-10,13-17H2,1H3,(H,29,30,31,32,33);7-8,15,20H,4-6,9-14H2,1-3H3,(H2,24,25,26,27,28,29)
InChIKeyNMQROYABAWPUGV-UHFFFAOYSA-N
XLogP25.81
TPSA436.60 Ų
H-Bond Donors6
H-Bond Acceptors47
Rotatable Bonds41
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002768.49
LogP ≤ 525.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1047

Analyze 1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine (CID 159824495) is 1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine is CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccccc4)CC3)n2)=NC1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccccc4)CC3)n2)s1.Cc1nc(Nc2n[nH]c(C)c2C(c2cccs2)N2CCCCC2)nc(N2CCN(C)CC2)n1.O=C(Cc1ccc(Sc2nc(NC3=NCC(C4CC4)=C3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine?
The InChIKey is NMQROYABAWPUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N7OS.C29H28F3N7OS2.C29H31N7OS.C28H29N7OS2.C23H33N9S/c33-32(34,35)24-2-1-3-25(18-24)41-12-14-42(15-13-41)30-38-29(37-28-17-23(19-36-28)21-6-7-21)39-31(40-30)44-26-10-4-20(5-11-26)16-27(43)22-8-9-22;1-18-17-33-27(41-18)35-25-34-26(39-13-11-38(12-14-39)22-4-2-3-21(16-22)29(30,31)32)37-28(36-25)42-23-9-5-19(6-10-23)15-24(40)20-7-8-20;1-20-17-26(30-19-20)31-27-32-28(36-15-13-35(14-16-36)23-5-3-2-4-6-23)34-29(33-27)38-24-11-7-21(8-12-24)18-25(37)22-9-10-22;1-19-18-29-27(37-19)31-25-30-26(35-15-13-34(14-16-35)22-5-3-2-4-6-22)33-28(32-25)38-23-11-7-20(8-12-23)17-24(36)21-9-10-21;1-16-19(20(18-8-7-15-33-18)31-9-5-4-6-10-31)21(29-28-16)26-22-24-17(2)25-23(27-22)32-13-11-30(3)12-14-32/h1-5,10-11,17-18,21-22H,6-9,12-16,19H2,(H,36,37,38,39,40);2-6,9-10,16-17,20H,7-8,11-15H2,1H3,(H,33,34,35,36,37);2-8,11-12,17,22H,9-10,13-16,18-19H2,1H3,(H,30,31,32,33,34);2-8,11-12,18,21H,9-10,13-17H2,1H3,(H,29,30,31,32,33);7-8,15,20H,4-6,9-14H2,1-3H3,(H2,24,25,26,27,28,29).
What are the key properties of 1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine?
1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine has a molecular weight of 2768.49 g/mol, XLogP of 25.81, 41 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 159824495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).